1-benzyl-4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-benzyl-4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C799-0121 |
| Compound Name: | 1-benzyl-4-({[(5-bromo-2-methoxyphenyl)methyl]amino}methyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 457.37 |
| Molecular Formula: | C23 H25 Br N2 O3 |
| Smiles: | Cc1c(CNCc2cc(ccc2OC)[Br])c(C(O)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4712 |
| logD: | 4.4712 |
| logSw: | -4.49 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.74 |
| InChI Key: | GNWSKUBXTYRHMU-UHFFFAOYSA-N |